[(4-ethoxyphenyl)methyl](2-methoxyethyl)amine

• ChemBase ID: 306797
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1(ccc(cc1)CNCCOC)OCC
• Canonical SMILES: COCCNCc1ccc(cc1)OCC
• InChI: InChI=1S/C12H19NO2/c1-3-15-12-6-4-11(5-7-12)10-13-8-9-14-2/h4-7,13H,3,8-10H2,1-2H3
• InChIKey: HMFUEAILNGLZHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethoxyphenyl)methyl](2-methoxyethyl)amine
• IUPAC Traditional name: [(4-ethoxyphenyl)methyl](2-methoxyethyl)amine
• Synonyms: (4-ethoxybenzyl)(2-methoxyethyl)amine

Database IDs

• CAS Number: 827328-67-6
• MDL Number: MFCD05863667

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3699706
• LogD (pH = 7.4): 0.07606363
• Log P: 1.6837559
• Molar Refractivity: 61.5613 cm^3
• Polarizability: 24.27139 Å^3
• Polar Surface Area: 30.49 Å^2